Name Formula m/z Score (DB)
1 Undecanoic acid, 3-hydroxy-, (S)- C11H22O3 203.1631 81.91
2 U-51605 C20H32N2O2 350.2804 84.99
3 Thermospermine C10H26N4 241.1787 94.04
4 Strigolactone ABC-rings C14H18O3 235.1331 80.05
5 SerSer C6H12N2O5 215.0629 92.44
6 Sapelin A C30H50O4 475.3802 82.46
7 Proclavaminic acid C8H14N2O4 203.1031 79.08
8 Phosphatidyl glycerol C6H15O8P 269.0392 84.1
9 N-palmitoyl glycine C18H35NO3 331.2964 76.67
10 N-oleoyl glutamine C23H42N2O4 411.3214 85.78
11 N-3-oxo-hexadec-11(Z)-enoyl-L-Homoserine lactone C20H33NO4 369.2749 84.25
12 Lubimin C15H24O4 237.186 77.23
13 Lauryl hydrogen sulfate C12H26O4S 267.163 75.07
14 EPA (d5) C20H25D5O2 308.2642 76.49
15 Dihydrojasmonic Acid, Methyl Ester C13 H22 O3 227.165 86.4
16 Dihydrojasmonic Acid, Methyl Ester C13H22O3 227.1633 83.26
17 Dihydroflavokawain C C17H18O5 325.1062 75.16
18 D-Fucosamine C6H13NO4 181.1185 75.01
19 Decanoic acid, 9-hydroxy-, (R)-; D-9-Hydroxydecanoic acid C10H20O3 211.1301 86.32
20 Corey Lactone Aldehyde Benzoate C15H14O5 297.0728 78.23
21 Cnidilide C12H18O2 195.1385 75.9
22 Chrysanthetriol C15H26O3 255.1966 79.66
23 Arachidic acid(d3) C20H37D3O2 316.3295 99.17
24 altretamine C9H18N6 211.1669 83.48
25 9Z-Dodecen-7-ynyl acetate C14H22O2 223.1687 85.6
26 8Z-Undecenyl acetate C13H24O2 213.1849 97.69
27 8-Methyl-undecanoic acid C12H24O2 223.1662 82.83
28 7-oxo-11E,13-Tetradecadienoic acid C14H22O3 239.1644 79.01
29 7-Aminomethyl-7-carbaguanine C7 H9N5O 197.1154 84.15
30 5Z-Decenyl acetate C12H22O2 199.1684 96.53
31 4-Heptyloxyphenol C13H20O2 209.1533 85.25
32 4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone C16H16O5 311.0896 77.25
33 23,23-difluoro-25-hydroxyvitamin D3 / 23,23-difluoro-25-hydroxycholecalciferol C27H42F2O2 454.3496 76.03
34 1β,3α,4α-p-menthane-3,8-diol C10H20O2 195.1349 85.45
35 1-tetradecanyl-2-(8-[16]-ladderane-octanyl)-sn-glycerophosphoethanolamine C39H74NO6P 701.5625 83.23
36 1-amino-3,3-diethoxypropane C7H17NO2 165.1591 78.08
37 1-amino-3,3-diethoxypropane C7H17NO2 165.1592 79.41
38 (6S,9R)-Vomifoliol C13H20O3 225.1491 82.66
39 (3S,7R)-iso-jasmonic acid C12H18O3 211.133 83.47
40 (25S)-3-oxo-cholest-1,4-dien-26-oic acid C28H42O3 427.3202 78.51
41 (±)-Ibuprofen C13H18O2 207.1378 82.36
42 (+)-trans-alpha-Irone C14H22O 207.174 86.74
Table 2: Identified compounds from sample TD1.
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